#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202369.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2202369
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  m873
_journal_page_last  m875
_publ_section_title
;
 Bis(diisopropylammonium) diphenyldioxalatostannate
;
loop_
_publ_author_name
  'Xu, Tao'
  'Yang, Shi-Yao'
  'Xie, Zhao-Xiong'
  'Ng, Seik Weng'
_chemical_formula_moiety  '2(C6 H16 N), 2(C6 H5), 2(C2 O4), Sn'
_chemical_formula_sum  'C28 H42 N2 O8 Sn'
_chemical_formula_iupac  '[Sn (C6 H5)2 (C2 O4)2 ] 2C6 H16 N'
_chemical_formula_weight  653.33
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  9.4647(5)
_cell_length_b  20.9010(10)
_cell_length_c  15.9940(8)
_cell_angle_alpha  90.00
_cell_angle_beta  93.3640(10)
_cell_angle_gamma  90.00
_cell_volume  3158.6(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.374
_diffrn_ambient_temperature  298(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Sn1 0.27877(5) 0.33312(2) 0.24929(3) 0.0380(2) Uani d . 1 . . Sn
  O1 0.1871(5) 0.4262(2) 0.2226(3) 0.0480(10)
  Uani d . 1 . . O
  O2 0.2052(7) 0.5109(3) 0.1410(4) 0.070(2) Uani d . 1 . . O
  O3 0.3927(5) 0.3677(2) 0.1478(3) 0.0500(10)
  Uani d . 1 . . O
  O4 0.4152(7) 0.4505(3) 0.0633(4) 0.074(2) Uani d . 1 . . O
  O5 0.4193(5) 0.3950(2) 0.3273(3) 0.0440(10)
  Uani d . 1 . . O
  O6 0.4422(5) 0.4365(3) 0.4547(3) 0.0550(10)
  Uani d . 1 . . O
  O7 0.1722(5) 0.3440(2) 0.3617(3) 0.0400(10)
  Uani d . 1 . . O
  O8 0.1684(5) 0.4050(3) 0.4757(3) 0.0500(10)
  Uani d . 1 . . O
  N1 0.3349(6) 0.5865(3) 0.0161(4) 0.0450(10)
  Uani d . 1 . . N
  N2 0.2759(5) 0.5230(3) 0.5553(3) 0.0390(10)
  Uani d . 1 . . N
  C1 0.4210(7) 0.2561(3) 0.2808(4) 0.040(2) Uani d . 1 . . C
  C2 0.3788(9) 0.1941(4) 0.2688(5) 0.060(2) Uani d . 1 . . C
  C3 0.4650(10)
  0.1425(4) 0.2920(7) 0.076(3) Uani d . 1 . . C
  C4 0.5960(10)
  0.1530(5) 0.3264(6) 0.076(3) Uani d . 1 . . C
  C5 0.6420(10)
  0.2130(5) 0.3401(8) 0.090(3) Uani d . 1 . . C
  C6 0.5540(10)
  0.2644(4) 0.3156(7) 0.075(3) Uani d . 1 . . C
  C7 0.1025(8) 0.2871(3) 0.1840(5) 0.046(2) Uani d . 1 . . C
  C8 0.1190(10)
  0.2565(6) 0.1107(7) 0.105(4) Uani d . 1 . . C
  C9 0.011(2) 0.2240(6) 0.0670(9) 0.125(6) Uani d . 1 . . C
  C10 -0.115(2) 0.2208(5) 0.0973(9) 0.100(4) Uani d . 1 . . C
  C11 -0.1360(10)
  0.2495(7) 0.1701(8) 0.102(4) Uani d . 1 . . C
  C12 -0.0270(10)
  0.2833(5) 0.2128(5) 0.072(3) Uani d . 1 . . C
  C13 0.2409(8) 0.4580(3) 0.1644(5) 0.046(2) Uani d . 1 . . C
  C14 0.3590(8) 0.4229(3) 0.1202(4) 0.046(2) Uani d . 1 . . C
  C15 0.3755(6) 0.4078(3) 0.3983(4) 0.0360(10)
  Uani d . 1 . . C
  C16 0.2245(6) 0.3843(3) 0.4146(4) 0.0350(10)
  Uani d . 1 . . C
  C17 0.2210(10)
  0.5944(4) -0.0521(5) 0.062(2) Uani d . 1 . . C
  C18 0.219(2) 0.5357(8) -0.1048(9) 0.148(7) Uani d . 1 . . C
  C19 0.0830(10)
  0.6058(6) -0.0181(7) 0.099(4) Uani d . 1 . . C
  C20 0.3693(9) 0.6434(4) 0.0707(5) 0.056(2) Uani d . 1 . . C
  C21 0.4700(10)
  0.6221(6) 0.1418(6) 0.091(3) Uani d . 1 . . C
  C22 0.4280(10)
  0.6979(4) 0.0218(7) 0.085(3) Uani d . 1 . . C
  C23 0.2518(8) 0.5130(4) 0.6461(4) 0.050(2) Uani d . 1 . . C
  C24 0.1006(9) 0.4960(5) 0.6579(5) 0.073(3) Uani d . 1 . . C
  C25 0.3560(10)
  0.4641(5) 0.6786(6) 0.074(3) Uani d . 1 . . C
  C26 0.1860(7) 0.5697(4) 0.5071(5) 0.050(2) Uani d . 1 . . C
  C27 0.2337(9) 0.5731(4) 0.4193(5) 0.064(2) Uani d . 1 . . C
  C28 0.1880(10)
  0.6340(4) 0.5487(7) 0.076(3) Uani d . 1 . . C
  H1n1 0.4146 0.5744 -0.0075 0.054 Uiso calc R 1 . . H
  H1n2 0.3096 0.5542 0.0493 0.054 Uiso calc R 1 . . H
  H2n1 0.3666 0.5351 0.5516 0.047 Uiso calc R 1 . . H
  H2n2 0.2659 0.4849 0.5295 0.047 Uiso calc R 1 . . H
  H2 0.2891 0.1862 0.2441 0.072 Uiso calc R 1 . . H
  H3 0.4322 0.1009 0.2838 0.091 Uiso calc R 1 . . H
  H4 0.6543 0.1186 0.3407 0.091 Uiso calc R 1 . . H
  H5 0.7307 0.2203 0.3658 0.108 Uiso calc R 1 . . H
  H6 0.5882 0.3058 0.3234 0.090 Uiso calc R 1 . . H
  H8 0.2081 0.2573 0.0887 0.125 Uiso calc R 1 . . H
  H9 0.0276 0.2044 0.0162 0.150 Uiso calc R 1 . . H
  H10 -0.1882 0.1989 0.0684 0.120 Uiso calc R 1 . . H
  H11 -0.2246 0.2470 0.1925 0.123 Uiso calc R 1 . . H
  H12 -0.0454 0.3038 0.2627 0.087 Uiso calc R 1 . . H
  H17 0.2450 0.6311 -0.0867 0.075 Uiso calc R 1 . . H
  H18a 0.1473 0.5397 -0.1493 0.222 Uiso calc R 1 . . H
  H18b 0.1996 0.4991 -0.0710 0.222 Uiso calc R 1 . . H
  H18c 0.3098 0.5304 -0.1281 0.222 Uiso calc R 1 . . H
  H19a 0.0873 0.6441 0.0150 0.149 Uiso calc R 1 . . H
  H19b 0.0591 0.5702 0.0162 0.149 Uiso calc R 1 . . H
  H19c 0.0128 0.6106 -0.0634 0.149 Uiso calc R 1 . . H
  H20 0.2816 0.6579 0.0944 0.067 Uiso calc R 1 . . H
  H21a 0.4282 0.5875 0.1712 0.136 Uiso calc R 1 . . H
  H21b 0.4883 0.6573 0.1796 0.136 Uiso calc R 1 . . H
  H21c 0.5569 0.6081 0.1200 0.136 Uiso calc R 1 . . H
  H22a 0.3602 0.7099 -0.0226 0.127 Uiso calc R 1 . . H
  H22b 0.5143 0.6848 -0.0015 0.127 Uiso calc R 1 . . H
  H22c 0.4456 0.7338 0.0583 0.127 Uiso calc R 1 . . H
  H23 0.2726 0.5533 0.6757 0.060 Uiso calc R 1 . . H
  H24a 0.0873 0.4902 0.7164 0.109 Uiso calc R 1 . . H
  H24b 0.0774 0.4570 0.6284 0.109 Uiso calc R 1 . . H
  H24c 0.0402 0.5297 0.6363 0.109 Uiso calc R 1 . . H
  H25a 0.3438 0.4568 0.7370 0.111 Uiso calc R 1 . . H
  H25b 0.4503 0.4791 0.6714 0.111 Uiso calc R 1 . . H
  H25c 0.3407 0.4248 0.6483 0.111 Uiso calc R 1 . . H
  H26 0.0884 0.5538 0.5044 0.059 Uiso calc R 1 . . H
  H27a 0.2313 0.5311 0.3950 0.096 Uiso calc R 1 . . H
  H27b 0.3285 0.5895 0.4203 0.096 Uiso calc R 1 . . H
  H27c 0.1717 0.6009 0.3864 0.096 Uiso calc R 1 . . H
  H28a 0.1584 0.6297 0.6048 0.114 Uiso calc R 1 . . H
  H28b 0.1251 0.6625 0.5177 0.114 Uiso calc R 1 . . H
  H28c 0.2825 0.6511 0.5503 0.114 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Sn1 0.0440(3) 0.0331(3) 0.0375(3) 0.0003(2) 0.006(2) -0.0027(2)
  O1 0.052(3) 0.033(3) 0.061(3) 0.009(2) 0.015(2) -0.001(2)
  O2 0.091(4) 0.043(3) 0.076(4) 0.019(3) 0.026(3) 0.015(3)
  O3 0.061(3) 0.039(3) 0.053(3) 0.009(2) 0.023(2) 0.004(2)
  O4 0.085(4) 0.057(4) 0.083(4) 0.015(3) 0.040(4) 0.024(3)
  O5 0.039(3) 0.043(3) 0.051(3) -0.008(2) 0.013(2) -0.012(2)
  O6 0.032(3) 0.071(4) 0.060(3) -0.004(2) 0.001(2) -0.021(3)
  O7 0.042(3) 0.040(3) 0.037(2) -0.008(2) 0.010(2) -0.006(2)
  O8 0.038(3) 0.064(3) 0.049(3) -0.004(2) 0.011(2) -0.016(3)
  N1 0.045(3) 0.043(3) 0.048(3) 0.008(3) 0.006(3) 0.005(3)
  N2 0.030(3) 0.045(3) 0.042(3) -0.004(2) 0.006(2) -0.008(3)
  C1 0.041(4) 0.040(4) 0.039(4) 0.002(3) 0.002(3) 0.001(3)
  C2 0.061(5) 0.049(5) 0.070(6) 0.001(4) 0.002(4) -0.001(4)
  C3 0.080(7) 0.042(5) 0.107(8) 0.004(4) 0.018(6) 0.004(5)
  C4 0.076(7) 0.062(6) 0.089(7) 0.030(5) 0.009(5) 0.017(5)
  C5 0.061(6) 0.086(8) 0.121(9) 0.023(5) -0.020(6) -0.011(7)
  C6 0.078(7) 0.045(5) 0.101(8) 0.006(4) -0.007(5) -0.008(5)
  C7 0.050(4) 0.036(4) 0.051(4) 0.003(3) -0.020(3) -0.016(3)
  C8 0.074(7) 0.120(10)
  0.113(9) 0.025(6) -0.026(6) -0.070(8)
  C9 0.099(9) 0.130(10)
  0.140(10)
  0.032(8) -0.049(9) -0.100(10)
  C10 0.110(10)
  0.061(6) 0.13910 -0.002(6) -0.058(8) -0.015(7)
  C11 0.066(7) 0.140(10)
  0.095(8) -0.039(7) -0.023(6) 0.034(8)
  C12 0.068(6) 0.099(7) 0.049(5) -0.018(5) -0.008(4) 0.003(5)
  C13 0.055(5) 0.038(4) 0.047(4) 0.002(3) 0.007(3) -0.005(3)
  C14 0.054(4) 0.045(4) 0.038(4) -0.003(3) 0.009(3) 0.009(3)
  C15 0.028(3) 0.038(4) 0.041(4) 0.005(3) -0.007(3) -0.008(3)
  C16 0.030(3) 0.036(3) 0.039(4) 0.004(3) -0.001(3) 0.000(3)
  C17 0.072(6) 0.060(5) 0.053(5) 0.002(4) -0.008(4) 0.008(4)
  C18 0.150(10)
  0.17(2) 0.120(10)
  0.030(10)
  -0.037(9) -0.090(10)
  C19 0.068(7) 0.130(10)
  0.097(8) 0.013(7) -0.010(6) 0.016(8)
  C20 0.059(5) 0.052(4) 0.057(5) 0.004(4) 0.005(4) -0.009(4)
  C21 0.091(8) 0.100(8) 0.079(7) -0.010(6) -0.023(6) -0.001(6)
  C22 0.104(8) 0.049(5) 0.101(8) -0.004(5) -0.004(6) -0.015(5)
  C23 0.054(5) 0.060(5) 0.035(4) -0.007(4) 0.001(3) -0.011(3)
  C24 0.051(5) 0.117(8) 0.051(5) -0.017(5) 0.009(4) -0.003(5)
  C25 0.083(7) 0.083(7) 0.055(5) -0.004(5) -0.006(5) 0.010(5)
  C26 0.029(4) 0.051(4) 0.068(5) -0.005(3) -0.001(3) 0.008(4)
  C27 0.062(5) 0.068(6) 0.061(5) -0.001(4) 0.000(4) 0.021(4)
  C28 0.066(6) 0.052(5) 0.110(8) 0.006(4) 0.003(5) -0.014(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sn1 C1 . 2.139(7) yes
  Sn1 C7 . 2.144(7) yes
  Sn1 O1 . 2.162(5) yes
  Sn1 O3 . 2.128(5) yes
  Sn1 O5 . 2.191(5) yes
  Sn1 O7 . 2.124(4) yes
  O1 C13 . 1.275(8) no
  O2 C13 . 1.209(9) no
  O3 C14 . 1.269(8) no
  O4 C14 . 1.226(8) no
  O5 C15 . 1.261(8) no
  O6 C15 . 1.227(8) no
  O7 C16 . 1.272(8) no
  O8 C16 . 1.219(8) no
  N1 C17 . 1.500(10)
  no
  N1 C20 . 1.499(9) no
  N2 C23 . 1.499(8) no
  N2 C26 . 1.481(9) no
  C1 C6 . 1.360(10)
  no
  C1 C2 . 1.370(10)
  no
  C2 C3 . 1.390(10)
  no
  C3 C4 . 1.340(10)
  no
  C4 C5 . 1.340(10)
  no
  C5 C6 . 1.400(10)
  no
  C7 C12 . 1.340(10)
  no
  C7 C8 . 1.350(10)
  no
  C8 C9 . 1.38(2) no
  C9 C10 . 1.32(2) no
  C10 C11 . 1.34(2) no
  C11 C12 . 1.390(10)
  no
  C13 C14 . 1.540(10)
  no
  C15 C16 . 1.547(9) no
  C17 C19 . 1.460(10)
  no
  C17 C18 . 1.490(10)
  no
  C20 C22 . 1.510(10)
  no
  C20 C21 . 1.510(10)
  no
  C23 C25 . 1.490(10)
  no
  C23 C24 . 1.500(10)
  no
  C26 C28 . 1.500(10)
  no
  C26 C27 . 1.500(10)
  no
  N1 H1n1 . 0.90 no
  N1 H1n2 . 0.90 no
  N2 H2n1 . 0.90 no
  N2 H2n2 . 0.90 no
  C2 H2 . 0.93 no
  C3 H3 . 0.93 no
  C4 H4 . 0.93 no
  C5 H5 . 0.93 no
  C6 H6 . 0.93 no
  C8 H8 . 0.93 no
  C9 H9 . 0.93 no
  C10 H10 . 0.93 no
  C11 H11 . 0.93 no
  C12 H12 . 0.93 no
  C17 H17 . 0.98 no
  C18 H18a . 0.96 no
  C18 H18b . 0.96 no
  C18 H18c . 0.96 no
  C19 H19a . 0.96 no
  C19 H19b . 0.96 no
  C19 H19c . 0.96 no
  C20 H20 . 0.98 no
  C21 H21a . 0.96 no
  C21 H21b . 0.96 no
  C21 H21c . 0.96 no
  C22 H22a . 0.96 no
  C22 H22b . 0.96 no
  C22 H22c . 0.96 no
  C23 H23 . 0.98 no
  C24 H24a . 0.96 no
  C24 H24b . 0.96 no
  C24 H24c . 0.96 no
  C25 H25a . 0.96 no
  C25 H25b . 0.96 no
  C25 H25c . 0.96 no
  C26 H26 . 0.98 no
  C27 H27a . 0.96 no
  C27 H27b . 0.96 no
  C27 H27c . 0.96 no
  C28 H28a . 0.96 no
  C28 H28b . 0.96 no
  C28 H28c . 0.96 no